15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+)

C31H30N10Pd+2 — CID 162457762

IUPAC15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+)
SMILESCN1c2ccccc2N(c2[c-]cccc2)c2nc3n(c21)N(C)CCN3c1cccc(-n2c[n+](C)c3c2[cH-]c[n+]3C)n1.[Pd+2]
InChIInChI=1S/C31H30N10.Pd/c1-34-18-17-25-29(34)35(2)21-39(25)27-16-10-15-26(32-27)38-20-19-36(3)41-30-28(33-31(38)41)40(22-11-6-5-7-12-22)24-14-9-8-13-23(24)37(30)4;/h5-11,13-18,21H,19-20H2,1-4H3;/q;+2
InChIKeyZTKXZOYXBNLNSR-UHFFFAOYSA-N
MW649.07 g/mol
LogP3.66
Rot. Bonds3

About 15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+)

15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+) (PubChem CID 162457762) has the molecular formula C31H30N10Pd+2 and a molecular weight of 649.07 g/mol. Its IUPAC name is 15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+).

Molecular Properties

Compound Name15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+)
PubChem CID162457762
Molecular FormulaC31H30N10Pd+2
Molecular Weight649.07 g/mol
Exact Mass648.17
IUPAC Name15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+)
SMILESCN1c2ccccc2N(c2[c-]cccc2)c2nc3n(c21)N(C)CCN3c1cccc(-n2c[n+](C)c3c2[cH-]c[n+]3C)n1.[Pd+2]
InChIInChI=1S/C31H30N10.Pd/c1-34-18-17-25-29(34)35(2)21-39(25)27-16-10-15-26(32-27)38-20-19-36(3)41-30-28(33-31(38)41)40(22-11-6-5-7-12-22)24-14-9-8-13-23(24)37(30)4;/h5-11,13-18,21H,19-20H2,1-4H3;/q;+2
InChIKeyZTKXZOYXBNLNSR-UHFFFAOYSA-N
XLogP3.66
TPSA56.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500649.07
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+)?
The IUPAC name of 15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+) (CID 162457762) is 15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+).
What is the SMILES notation for 15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+)?
The canonical SMILES for 15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+) is CN1c2ccccc2N(c2[c-]cccc2)c2nc3n(c21)N(C)CCN3c1cccc(-n2c[n+](C)c3c2[cH-]c[n+]3C)n1.[Pd+2].
What is the InChIKey of 15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+)?
The InChIKey is ZTKXZOYXBNLNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N10.Pd/c1-34-18-17-25-29(34)35(2)21-39(25)27-16-10-15-26(32-27)38-20-19-36(3)41-30-28(33-31(38)41)40(22-11-6-5-7-12-22)24-14-9-8-13-23(24)37(30)4;/h5-11,13-18,21H,19-20H2,1-4H3;/q;+2.
What are the key properties of 15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+)?
15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+) has a molecular weight of 649.07 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[6-(3,4-dimethyl-6H-pyrrolo[2,3-d]imidazole-3,4-diium-6-id-1-yl)-2-pyridinyl]-9,12-dimethyl-2-phenyl-2,9,11,12,15,17-hexazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,16-pentaene;palladium(2+) is sourced from PubChem (CID 162457762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).